![2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide structure](/static/products/4256/425682-80-0.webp)
2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
TL;DR: 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 425682-80-0) is a chemical compound with molecular formula C22H18BrN5O2S and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide, 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide, 2-bromo-N-((2-(4-ethoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)benzamide, 2-bromo-N-{[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}benzamide
| Molecular Formula | C22H18BrN5O2S |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | 4.7085 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.03647 |
| Heavy Atoms | 31 |
| Complexity | 1256.4937 |
Chemical Identifiers
| CAS Number | 425682-80-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4Br |
Product Overview
2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide (CAS 425682-80-0), with molecular formula C22H18BrN5O2S and molecular weight 495.04 g/mol. IUPAC: 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Property Insights of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
The XLogP value of 4.7085 indicates that 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The CAS number of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 425682-80-0.
What is the molecular formula of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is C22H18BrN5O2S.
What is the molecular weight of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide is 495.04 g/mol.
Where can I buy 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.